Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

We propose a new numerical technique to deal with nonlinear terms in gradient flows. By
introducing a scalar auxiliary variable (SAV), we construct efficient and robust energy stable …

Ongoing scientific interest is aimed at the properties and structure of electric double layers
(EDLs), which are crucial for capacitive energy storage, water treatment, and energy …

We develop a set of numerical schemes for the Poisson–Nernst–Planck equations. We
prove that our schemes are mass conservative, uniquely solvable and keep positivity …

Spherical colloidal particles generally self-assemble into hexagonal lattices in two
dimensions. However, more complex, non-hexagonal phases have been predicted …

A framework for performant Brownian Dynamics (BD) many-body simulations with adaptive
timestepping is presented. Contrary to the Euler–Maruyama scheme in common non …

Soft particles are known to overlap and form stable clusters that self-assemble into periodic
crystalline phases with density-independent lattice constants. We use molecular dynamics …

Spherical particles confined to liquid interfaces generally self-assemble into hexagonal
patterns. It was theoretically predicted by Jagla two decades ago that such particles …

In traditional approaches to form quasicrystals, multiple competing length scales involved in
particle size, shape, or interaction potential are believed to be necessary. It is unexpected …

We investigate the formation and stability of icosahedral quasicrystalline structures using a
dynamic phase field crystal model. Nonlinear interactions between density waves at two …